| SpectraBase Compound ID | IeGNjgjb8qu |
|---|---|
| InChI | InChI=1S/C40H38Br2O9/c1-22-30(21-47-29-16-10-24-11-17-33(44)49-31(24)20-29)40(5)19-18-32(48-23(2)43)39(3,4)36(40)35(51-38(46)26-8-14-28(42)15-9-26)34(22)50-37(45)25-6-12-27(41)13-7-25/h6-17,20,30,32,34-36H,1,18-19,21H2,2-5H3/t30-,32-,34-,35+,36+,40-/m1/s1 |
| InChIKey | RKYZLLHZAUQGFC-RMTGXFNQSA-N |
| Mol Weight | 822.5 g/mol |
| Molecular Formula | C40H38Br2O9 |
| Exact Mass | 820.088259 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DxBDinvZhxF |
|---|---|
| Name | ASSAFOETIDNOL-B-DI-PARA-BROMOBENZOATE |
| Compound Number | 2B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H38Br2O9 |
| InChI | InChI=1S/C40H38Br2O9/c1-22-30(21-47-29-16-10-24-11-17-33(44)49-31(24)20-29)40(5)19-18-32(48-23(2)43)39(3,4)36(40)35(51-38(46)26-8-14-28(42)15-9-26)34(22)50-37(45)25-6-12-27(41)13-7-25/h6-17,20,30,32,34-36H,1,18-19,21H2,2-5H3/t30-,32-,34-,35+,36+,40-/m1/s1 |
| InChIKey | RKYZLLHZAUQGFC-RMTGXFNQSA-N |
| Literature Reference Author | M.H.A.EL-RAZEK,S.OHTA,A.A.AHMED,T.HIRATA |
| Literature Reference Citation | PHYTOCHEM.,58,1289(2001) |
| Literature Reference DOI | 10.1016/S0031-9422(01)00324-7 |
| Molecular Weight | 822.544 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU3192 |